BDBM50221928 2,5-bis{6-[ethyl(2-methylbenzyl)amino]hexylamino}-[1,4]-benzoquinone::CHEMBL243274

SMILES: CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1C)Cc1ccccc1C

InChI Key: InChIKey=BALVIQMHBKKDTE-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50221928   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50221928 (2,5-bis{6-[ethyl(2-methylbenzyl)amino]hexylamino}-...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1C)Cc1ccccc1C |w:18.18| Show InChI InChI=1S/C38H56N4O2/c1-5-41(29-33-21-13-11-19-31(33)3)25-17-9-7-15-23-39-35-27-38(44)36(28-37(35)43)40-24-16-8-10-18-26-42(6-2)30-34-22-14-12-20-32(34)4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	72	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant acetylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50221928 (2,5-bis{6-[ethyl(2-methylbenzyl)amino]hexylamino}-...) Show SMILES CCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1ccccc1C)Cc1ccccc1C |w:18.18| Show InChI InChI=1S/C38H56N4O2/c1-5-41(29-33-21-13-11-19-31(33)3)25-17-9-7-15-23-39-35-27-38(44)36(28-37(35)43)40-24-16-8-10-18-26-42(6-2)30-34-22-14-12-20-32(34)4/h11-14,19-23,27-28,40,43-44H,5-10,15-18,24-26,29-30H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bologna Curated by ChEMBL					Assay Description Inhibition of human recombinant butyrylcholinesterase				J Med Chem 50: 4882-97 (2007) Article DOI: 10.1021/jm070559a BindingDB Entry DOI: 10.7270/Q218379R
					More data for this Ligand-Target Pair